UCSF

ZINC33736116

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 No

Popular Name: (3aS,4S,6S,6aR)-6-(carboxymethyl)-2-(3-nitrophenyl)-1,3-dioxo-4-[3-(trifluoromethyl)phenyl]-3a,4,5,6 (3aS,4S,6S,6aR)-6-(carboxymethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.16 12.63 -79.03 2 11 -1 180 506.369 7 ↓
Hi High (pH 8-9.5) 0.16 8.85 -116.89 1 11 -2 175 505.361 7 ↓
Hi High (pH 8-9.5) 0.16 11.64 -124.07 1 11 -2 175 505.361 7 ↓
Mid Mid (pH 6-8) 0.16 10.64 -56.12 3 11 0 177 507.377 7 ↓
Lo Low (pH 4.5-6) 0.16 8.66 -49.76 3 11 0 177 507.377 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )